N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

C23H28FN5O2 — CID 50797166

IUPACN-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C23H28FN5O2/c1-2-31-15-3-10-26-23(30)18-8-12-28(13-9-18)22-21-16-20(27-29(21)14-11-25-22)17-4-6-19(24)7-5-17/h4-7,11,14,16,18H,2-3,8-10,12-13,15H2,1H3,(H,26,30)
InChIKeyDLFDTFVSJZHADS-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.29
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (PubChem CID 50797166) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
PubChem CID50797166
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC NameN-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C23H28FN5O2/c1-2-31-15-3-10-26-23(30)18-8-12-28(13-9-18)22-21-16-20(27-29(21)14-11-25-22)17-4-6-19(24)7-5-17/h4-7,11,14,16,18H,2-3,8-10,12-13,15H2,1H3,(H,26,30)
InChIKeyDLFDTFVSJZHADS-UHFFFAOYSA-N
XLogP3.29
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (CID 50797166) is N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The InChIKey is DLFDTFVSJZHADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-2-31-15-3-10-26-23(30)18-8-12-28(13-9-18)22-21-16-20(27-29(21)14-11-25-22)17-4-6-19(24)7-5-17/h4-7,11,14,16,18H,2-3,8-10,12-13,15H2,1H3,(H,26,30).
What are the key properties of N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50797166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).